2-[4-(Dimethylamino)-1-piperidyl]ethylamine - CAS 313345-08-3

Catalog:	BB020882
Product Name:	2-[4-(Dimethylamino)-1-piperidyl]ethylamine
CAS:	313345-08-3
Synonyms:	1-(2-aminoethyl)-N,N-dimethyl-4-piperidinamine; 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine
Description:	2-[4-(Dimethylamino)-1-piperidyl]ethylamine (CAS# 313345-08-3) is a useful research chemical.
Molecular Weight:	171.28
Molecular Formula:	C9H21N3
Canonical SMILES:	CN(C)C1CCN(CC1)CCN
InChI:	InChI=1S/C9H21N3/c1-11(2)9-3-6-12(7-4-9)8-5-10/h9H,3-8,10H2,1-2H3
InChI Key:	XYIUIYHRNFXKQF-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CA-3073108-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815
CA-3073113-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815
EP-3668504-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815
TW-201920204-A	Macrocyclic MCL-1 inhibitor and method of use	20170815
US-2019055264-A1	Macrocyclic MCL-1 inhibitors and methods of use	20170815

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	117
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.173547683
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.173547683
Rotatable Bond Count:	3
Topological Polar Surface Area:	32.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1